{"ymdb_id":"YMDB15964","created_at":"2016-08-03T23:49:55.000Z","updated_at":"2016-09-11T18:50:49.000Z","name":"Aromadendrene","cas":null,"state":null,"melting_point":null,"description":"Aromadendrene belongs to the class of chemical entities known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulene","traditional_iupac":"1,1,2-trimethyl-5-methylidene-octahydro-1aH-cyclopropa[e]azulene","logp":"4.1460638329999995","pka":null,"alogps_solubility":"2.37e-03 g/l","alogps_logp":"3.70","alogps_logs":"-4.94","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"64.6954","polarizability":"25.92684761829333","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"3","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}